isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt
TL;DR: isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt (CAS 108361-79-1) is a chemical compound with molecular formula C8H11N3O3S and molecular weight 229.05211 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
azanium 4,6-dimethyl-1,1-dioxo-[1,2]thiazolo[5,4-b]pyridin-3-olate
Also Known As: 4,6-Dimethylisothiazolo(5,4-b)pyridin-3(2H)-one 1,1-dioxide, ammonium salt, Ammonium salt of 2H-4,6-dimethylpyrido(3,2-d)isothiazolin-3-one-1,1-dioxide, Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt, azanium 4,6-dimethyl-1,1-dioxo-[1,2]thiazolo[5,4-b]pyridin-3-olate
Technical Specifications
| Molecular Formula | C8H11N3O3S |
| Molecular Weight | 229.05211 g/mol |
| XLogP | -0.11616 |
| Topological Polar Surface Area (TPSA) | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.05211 Da |
| Heavy Atoms | 15 |
| Complexity | 371.0 |
| SMILES | CC1=CC(=NC2=C1C(=NS2(=O)=O)[O-])C.[NH4+] |
| InChIKey | CBJKAMMZKOMNSV-UHFFFAOYSA-N |
Chemical Property Profile of isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt
Property Insights of isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt
The XLogP value of -0.11616 indicates that isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt. Following Lipinski's Rule of Five, isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt?
The CAS number of isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt is 108361-79-1.
What is the molecular formula of isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt?
The molecular formula of isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt is C8H11N3O3S.
What is the molecular weight of isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt?
The molecular weight of isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt is 229.05211 g/mol.
Where can I buy isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt?
You can request a quote for isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt?
Yes, CoreyChem provides custom synthesis services for isothiazolo(5,4-b)pyridin-3(2h)-one, 4,6-dimethyl-, 1,1-dioxide, ammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.